SCHEMBL9251032

SCHEMBL9251032

CSC1=NC(C)(c2ccc(Sc3ccccc3)cc2)C(=O)N1Nc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSK3B P49841 1/20 0.31
CASP6 P55212 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
PTGS2 P35354 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9234316 1.00 CYP1A2 (0.33) CYP1A2ALDH1A1HPGDGAAMAPT
Fenamidone SCHEMBL15286728 0.90 CYP1A2 (0.38) CYP1A2ALDH1A1HPGDGAAMAPT
Fenamidone SCHEMBL550975 0.90 CYP1A2 (0.38) CYP1A2ALDH1A1HPGDGAAMAPT
Fenamidone SCHEMBL22306 0.90 CYP1A2 (0.38) CYP1A2ALDH1A1HPGDGAAMAPT
Fenamidone SCHEMBL27841614 0.89 CYP1A2 (0.37) CYP1A2ALDH1A1HPGDGAAMAPT
Fenamidone SCHEMBL17701153 0.89 CYP1A2 (0.37) CYP1A2ALDH1A1HPGDGAAMAPT
SCHEMBL9234117 0.88 MAPT (0.36) CYP1A2ALDH1A1HPGDGAAMAPT
SCHEMBL9232757 0.88 MAPT (0.36) CYP1A2ALDH1A1HPGDGAAMAPT
SCHEMBL9232334 0.87 GAA (0.34) CYP1A2ALDH1A1HPGDGAAMAPT
SCHEMBL9232851 0.87 CYP1A2 (0.34) CYP1A2ALDH1A1HPGDGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7278117-A None JP disclosed
JP-H07278117-A FUNGICIDAL 2-IMIDAZOLIN-5-ONE DERIVATIVE RHONE POULENC AGROCHIM 1995-10-24 JP disclosed